#MD System 2.0 @Title neb0_image06 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849343779278 0.307847937365 0.0634254441647} Si1 1 0.0 1 14 {} {0.849686373023 0.385125636913 0.444443621031} Si2 2 0.0 1 14 {} {0.0993808699585 0.307630127108 0.192713441335} Si3 3 0.0 1 14 {} {0.0991776948176 0.38363839804 0.318756614873} Si4 4 0.0 1 14 {} {0.856549204026 0.539621431999 0.436985558619} Si5 5 0.0 1 14 {} {0.102104585394 0.537005984181 0.307212844674} Si6 6 0.0 1 14 {} {0.851308194998 0.45928941722 0.0636946927957} Si7 7 0.0 1 14 {} {0.845462961234 0.229845991206 0.442046498246} Si8 8 0.0 1 14 {} {0.0991020119104 0.458459401421 0.191852322576} Si9 9 0.0 1 14 {} {0.0953370817235 0.229209865221 0.314178228733} Si10 10 0.0 1 8 {} {0.346741587607 0.593788235066 0.514287413805} O1 11 0.0 1 14 {} {0.319217435144 0.655954431255 0.522181413133} Si11 12 0.0 1 8 {} {0.110056870089 0.590065330713 0.212430195846} O2 13 0.0 1 1 {} {0.0114666291213 0.593305006793 0.151013052191} H1 14 0.0 1 8 {} {0.334774779388 0.17846363425 0.540719372762} O3 15 0.0 1 1 {} {0.933601489228 0.175311447687 0.601333626748} H2 16 0.0 1 8 {} {0.0844853648177 0.177364009246 0.216212928865} O4 17 0.0 1 1 {} {0.183254775263 0.173953478523 0.155850136103} H3 18 0.0 1 14 {} {0.849713496693 0.308008334712 0.565405798344} Si12 19 0.0 1 14 {} {0.850368977874 0.384242878613 0.93796348303} Si13 20 0.0 1 14 {} {0.0997822326983 0.309267511717 0.693711886983} Si14 21 0.0 1 14 {} {0.100059491862 0.387520157743 0.812301459949} Si15 22 0.0 1 14 {} {0.852378442197 0.538467702795 0.947553019212} Si16 23 0.0 1 14 {} {0.107819131917 0.541498237824 0.828632901841} Si17 24 0.0 1 14 {} {0.851030968107 0.463348466817 0.564130980939} Si18 25 0.0 1 14 {} {0.845552935682 0.229166218336 0.942435362532} Si19 26 0.0 1 14 {} {0.0997098898155 0.466287948598 0.693550344178} Si20 27 0.0 1 14 {} {0.0957653502359 0.230340444089 0.81497365276} Si21 28 0.0 1 8 {} {0.365698531524 0.589142844761 0.0480001708761} O5 29 0.0 1 1 {} {0.263972420939 0.593945930217 0.105874149074} H4 30 0.0 1 8 {} {0.141108664596 0.600069610358 0.761972854167} O6 31 0.0 1 1 {} {0.0424204258469 0.618567235227 0.725584894328} H5 32 0.0 1 8 {} {0.334590398695 0.177389305422 0.0409239711414} O7 33 0.0 1 1 {} {0.933474373344 0.174049546022 0.101067539409} H6 34 0.0 1 8 {} {0.084822930613 0.179417028764 0.714469876408} O8 35 0.0 1 1 {} {0.184095858986 0.175897282479 0.654392891811} H7 36 0.0 1 14 {} {0.349244651901 0.307617452367 0.0634120038517} Si22 37 0.0 1 14 {} {0.349459293838 0.385461148802 0.443800222542} Si23 38 0.0 1 14 {} {0.599176936804 0.308011862034 0.192906943132} Si24 39 0.0 1 14 {} {0.600200981729 0.384160810826 0.318869751063} Si25 40 0.0 1 14 {} {0.35385656862 0.538057499767 0.430293327955} Si26 41 0.0 1 14 {} {0.608521811444 0.538081027607 0.308968743378} Si27 42 0.0 1 14 {} {0.352256961394 0.457786671163 0.0693309415932} Si28 43 0.0 1 14 {} {0.345267303107 0.22997805518 0.441875194792} Si29 44 0.0 1 14 {} {0.604258586009 0.459043571316 0.192399462678} Si30 45 0.0 1 14 {} {0.595374107849 0.229433511112 0.314239397846} Si31 46 0.0 1 8 {} {0.85837828269 0.591321685261 0.533633089862} O9 47 0.0 1 1 {} {0.930519298919 0.622036339016 0.51373255092} H8 48 0.0 1 8 {} {0.613633814321 0.591037747352 0.214072889514} O10 49 0.0 1 1 {} {0.513423687742 0.593806851768 0.153265373352} H9 50 0.0 1 8 {} {0.834603646482 0.178325501154 0.54090663224} O11 51 0.0 1 1 {} {0.433861279949 0.175087606572 0.600918884082} H10 52 0.0 1 8 {} {0.584790727454 0.177648410954 0.21606895816} O12 53 0.0 1 1 {} {0.683584810092 0.174286783644 0.155692367292} H11 54 0.0 1 14 {} {0.348920065697 0.308259637624 0.564637290445} Si32 55 0.0 1 14 {} {0.349381265536 0.384087193104 0.938872822411} Si33 56 0.0 1 14 {} {0.598883849201 0.30842492486 0.69291293619} Si34 57 0.0 1 14 {} {0.59948626286 0.386163526736 0.813163475601} Si35 58 0.0 1 14 {} {0.355211637305 0.535998777737 0.953865692066} Si36 59 0.0 1 14 {} {0.600244811628 0.539307526495 0.824262959746} Si37 60 0.0 1 14 {} {0.348892870333 0.46333392664 0.564706511582} Si38 61 0.0 1 14 {} {0.345575265068 0.229070715154 0.942579423842} Si39 62 0.0 1 14 {} {0.600055108133 0.464180906648 0.691568649841} Si40 63 0.0 1 14 {} {0.59539839201 0.229817473132 0.81489252282} Si41 64 0.0 1 8 {} {0.859827383528 0.590751670651 0.044377880595} O13 65 0.0 1 1 {} {0.760784231089 0.594264199507 0.105465967528} H12 66 0.0 1 8 {} {0.591594669838 0.595777533748 0.74284583067} O14 67 0.0 1 14 {} {0.599639377392 0.658724662983 0.738448791477} Si42 68 0.0 1 8 {} {0.834688182174 0.17743136145 0.0406949871827} O15 69 0.0 1 1 {} {0.433410645267 0.174115482133 0.101301761409} H13 70 0.0 1 8 {} {0.584800449664 0.178756901076 0.714755459812} O16 71 0.0 1 1 {} {0.683934566745 0.175491125812 0.654471649852} H14 72 0.0 1 7 {} {0.481955563721 0.68600078276 0.613121893487} N 73 0.0 1 1 {} {0.428604521169 0.756364897917 0.657350546981} H16 74 0.0 1 9 {} {0.794239620269 0.678759070841 0.71748115603} F4 75 0.0 1 9 {} {0.322511275962 0.682501137966 0.38972640807} F5 76 0.0 1 9 {} {0.525948010674 0.684372076729 0.8616159815} F3 77 0.0 1 9 {} {0.128400996507 0.668848488202 0.574731497384} F1 78 0.0 1 9 {} {0.42545627682 0.793921694403 0.669226926857} F2 79 0.0 1 9 {} {0.61436845253 0.696019587953 0.520502877938} F6 80 0.0 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 45 38 0 0 21 19 0 0 78 73 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 0 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 70 63 {0 0 0} 0 1 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 67 74 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end